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4-(4-Methyl-1H-pyrrol-2-yl)benzonitrile
SpectraBase Compound ID 5q42YCWIvUn
InChI InChI=1S/C12H10N2/c1-9-6-12(14-8-9)11-4-2-10(7-13)3-5-11/h2-6,8,14H,1H3
InChIKey KRYATTGSXQPVGY-UHFFFAOYSA-N
Mol Weight 182.23 g/mol
Molecular Formula C12H10N2
Exact Mass 182.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnlczoGfNja
Name 4-(4-Methyl-1H-pyrrol-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
InChI InChI=1S/C12H10N2/c1-9-6-12(14-8-9)11-4-2-10(7-13)3-5-11/h2-6,8,14H,1H3
InChIKey KRYATTGSXQPVGY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201300477
Molecular Weight 182.226 g/mol
SMILES [nH]1c(cc(c1)C)-c1ccc(cc1)C#N
SPLASH splash10-001i-0900000000-1f89eaaaae55cab6910b
Source of Spectrum ACI-52-SMS13-4h
Wiley ID 1781206